N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide

C16H13ClN4O — CID 134589353

IUPACN-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccn(-c2ccnc(Cl)c2)n1
InChIInChI=1S/C16H13ClN4O/c17-14-11-13(6-8-18-14)21-9-7-15(20-21)19-16(22)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,22)
InChIKeyFANVUUJTZZCZBV-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide

N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide (PubChem CID 134589353) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide
PubChem CID134589353
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccn(-c2ccnc(Cl)c2)n1
InChIInChI=1S/C16H13ClN4O/c17-14-11-13(6-8-18-14)21-9-7-15(20-21)19-16(22)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,22)
InChIKeyFANVUUJTZZCZBV-UHFFFAOYSA-N
XLogP3.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide (CID 134589353) is N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccn(-c2ccnc(Cl)c2)n1.
What is the InChIKey of N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is FANVUUJTZZCZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-14-11-13(6-8-18-14)21-9-7-15(20-21)19-16(22)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,22).
What are the key properties of N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide?
N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 312.76 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-pyridinyl)pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 134589353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).